Geometry & MOs

Info

ID:	344642
PubChem CID:	127268227
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	329.196408
ΔH_f, kcal/mol:	-32.96
Dipole, Da:	4.12
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-pyridazin-3-ylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CN2CCN(CC2)C3=NN=CC=C3

DOS

IR

Vibrations